7,7-dimethoxy-8-methylhexadecane

C19H40O2 — CID 150332936

IUPAC7,7-dimethoxy-8-methylhexadecane
SMILESCCCCCCCCC(C)C(CCCCCC)(OC)OC
InChIInChI=1S/C19H40O2/c1-6-8-10-12-13-14-16-18(3)19(20-4,21-5)17-15-11-9-7-2/h18H,6-17H2,1-5H3
InChIKeyGQBISYFOFBSGBG-UHFFFAOYSA-N
MW300.53 g/mol
LogP6.33
Rot. Bonds15

About 7,7-dimethoxy-8-methylhexadecane

7,7-dimethoxy-8-methylhexadecane (PubChem CID 150332936) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 7,7-dimethoxy-8-methylhexadecane.

Molecular Properties

Compound Name7,7-dimethoxy-8-methylhexadecane
PubChem CID150332936
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name7,7-dimethoxy-8-methylhexadecane
SMILESCCCCCCCCC(C)C(CCCCCC)(OC)OC
InChIInChI=1S/C19H40O2/c1-6-8-10-12-13-14-16-18(3)19(20-4,21-5)17-15-11-9-7-2/h18H,6-17H2,1-5H3
InChIKeyGQBISYFOFBSGBG-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

10,10-dimethoxy-9-methyloctacosane
CID 151883229
10,10-dimethoxy-9-methylhenicosane
CID 150642222
5,5-dimethoxy-6-methyltetradecane
CID 150194841
4,4-dimethoxy-5-methyltridecanenitrile
CID 151093071
1,1,2,2-tetramethoxyoctane
CID 15697911
2-methoxy-2,3-dimethylundecane
CID 150941081
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
4,4-dimethoxy-5-propyltridecane
CID 151317508
3-methoxy-3-methyldodecane
CID 150409844

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxy-8-methylhexadecane?
The IUPAC name of 7,7-dimethoxy-8-methylhexadecane (CID 150332936) is 7,7-dimethoxy-8-methylhexadecane.
What is the SMILES notation for 7,7-dimethoxy-8-methylhexadecane?
The canonical SMILES for 7,7-dimethoxy-8-methylhexadecane is CCCCCCCCC(C)C(CCCCCC)(OC)OC.
What is the InChIKey of 7,7-dimethoxy-8-methylhexadecane?
The InChIKey is GQBISYFOFBSGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-6-8-10-12-13-14-16-18(3)19(20-4,21-5)17-15-11-9-7-2/h18H,6-17H2,1-5H3.
What are the key properties of 7,7-dimethoxy-8-methylhexadecane?
7,7-dimethoxy-8-methylhexadecane has a molecular weight of 300.53 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxy-8-methylhexadecane is sourced from PubChem (CID 150332936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).